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1-Benzyl-3a,5-dihydroxy-7-methyl-4-(4-methyl-8-oxo-non-1-enyl)-6-methylene-3-oxo-3a,4,5,6,7,7ahexahydroisoindoline
SpectraBase Compound ID Kb3jfQEQ3fA
InChI InChI=1S/C27H37NO4/c1-17(10-8-12-18(2)29)11-9-15-22-25(30)20(4)19(3)24-23(28-26(31)27(22,24)32)16-21-13-6-5-7-14-21/h5-7,9,13-15,17,19,22-25,30,32H,4,8,10-12,16H2,1-3H3,(H,28,31)/b15-9+
InChIKey ZTYNOALNERKTIQ-OQLLNIDSSA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H37NO4
Exact Mass 439.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdQILUsnjrf
Name 1-Benzyl-3a,5-dihydroxy-7-methyl-4-(4-methyl-8-oxo-non-1-enyl)-6-methylene-3-oxo-3a,4,5,6,7,7ahexahydroisoindoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO4
InChI InChI=1S/C27H37NO4/c1-17(10-8-12-18(2)29)11-9-15-22-25(30)20(4)19(3)24-23(28-26(31)27(22,24)32)16-21-13-6-5-7-14-21/h5-7,9,13-15,17,19,22-25,30,32H,4,8,10-12,16H2,1-3H3,(H,28,31)/b15-9+
InChIKey ZTYNOALNERKTIQ-OQLLNIDSSA-N
Molecular Weight 439.596 g/mol
SMILES OC1C(C(C2C(C1\C=C\CC(CCCC(=O)C)C)(C(NC2Cc1ccccc1)=O)O)C)=C
SPLASH splash10-052f-9600000000-b460130bdac0aa6cf551
Source of Spectrum IC-1170-0-0
Synonyms 3-Benzyl-6,7a-dihydroxy-4-methyl-5-methylene-7-[(1E)-4-methyl-8-oxo-1-nonenyl]octahydro-1H-isoindol-1-one
Wiley ID 1384469